4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline

C51H36N2O — CID 166914687

IUPAC4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
SMILESc1ccc(C2N=C(c3cccc(-c4ccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc3N2)cc1
InChIInChI=1S/C51H36N2O/c1-4-16-37(17-5-1)50-52-46-28-12-10-24-43(46)48(53-50)39-19-14-18-38(34-39)35-30-32-36(33-31-35)42-25-15-27-45-49(42)54-47-29-13-11-26-44(47)51(45,40-20-6-2-7-21-40)41-22-8-3-9-23-41/h1-34,50,52H
InChIKeyIGCBHQHAIBCHAW-UHFFFAOYSA-N
MW692.86 g/mol
LogP12.47
Rot. Bonds6

About 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline

4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline (PubChem CID 166914687) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline.

Molecular Properties

Compound Name4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
PubChem CID166914687
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
SMILESc1ccc(C2N=C(c3cccc(-c4ccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc3N2)cc1
InChIInChI=1S/C51H36N2O/c1-4-16-37(17-5-1)50-52-46-28-12-10-24-43(46)48(53-50)39-19-14-18-38(34-39)35-30-32-36(33-31-35)42-25-15-27-45-49(42)54-47-29-13-11-26-44(47)51(45,40-20-6-2-7-21-40)41-22-8-3-9-23-41/h1-34,50,52H
InChIKeyIGCBHQHAIBCHAW-UHFFFAOYSA-N
XLogP12.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
CID 171724084
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline?
The IUPAC name of 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline (CID 166914687) is 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline.
What is the SMILES notation for 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline?
The canonical SMILES for 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline is c1ccc(C2N=C(c3cccc(-c4ccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)c3ccccc3N2)cc1.
What is the InChIKey of 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline?
The InChIKey is IGCBHQHAIBCHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-4-16-37(17-5-1)50-52-46-28-12-10-24-43(46)48(53-50)39-19-14-18-38(34-39)35-30-32-36(33-31-35)42-25-15-27-45-49(42)54-47-29-13-11-26-44(47)51(45,40-20-6-2-7-21-40)41-22-8-3-9-23-41/h1-34,50,52H.
What are the key properties of 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline?
4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline has a molecular weight of 692.86 g/mol, XLogP of 12.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline is sourced from PubChem (CID 166914687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).